Crystallography Open Database

Information card for entry 1545277

Preview

Coordinates	1545277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 N2 O4
Calculated formula	C18 H26 N2 O4
SMILES	C1CC[C@@]23C[C@H]4[C@@](C(=O)N13)(C[C@@H](C4(C)C)CC(=O)OC)N(C2=O)C
Title of publication	Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.
Authors of publication	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1152 - 1155
a	9.4759 ± 0.0007 Å
b	9.4759 ± 0.0007 Å
c	16.7019 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1298.79 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193629 (current)	2017-03-04	cif/ Updating files of 1545277, 1545278 Original log message: Adding full bibliography for 1545277--1545278.cif.	1545277.cif
192206	2017-02-17	cif/ Adding structures of 1545277 via cif-deposit CGI script.	1545277.cif